[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C10H10ClIN2O3S — CID 168674271

IUPAC[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ncccc1I
InChIInChI=1S/C10H10ClIN2O3S/c11-18(16,17)6-7-4-9(15)14(5-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2
InChIKeyPKCUUDPZKSKQJM-UHFFFAOYSA-N
MW400.63 g/mol
LogP1.61
Rot. Bonds3

About [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674271) has the molecular formula C10H10ClIN2O3S and a molecular weight of 400.63 g/mol. Its IUPAC name is [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674271
Molecular FormulaC10H10ClIN2O3S
Molecular Weight400.63 g/mol
Exact Mass399.91
IUPAC Name[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ncccc1I
InChIInChI=1S/C10H10ClIN2O3S/c11-18(16,17)6-7-4-9(15)14(5-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2
InChIKeyPKCUUDPZKSKQJM-UHFFFAOYSA-N
XLogP1.61
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
[1-(4-chloro-3-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674043
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674461
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
[1-(3-iodo-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673111

Frequently Asked Questions

What is the IUPAC name of [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168674271) is [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1ncccc1I.
What is the InChIKey of [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is PKCUUDPZKSKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O3S/c11-18(16,17)6-7-4-9(15)14(5-7)10-8(12)2-1-3-13-10/h1-3,7H,4-6H2.
What are the key properties of [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 400.63 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).